Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 7/20 | 0.32 |
| ▸ | PPARA | Q07869 | 7/20 | 0.32 |
| ▸ | PIM1 | P11309 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | PPARD | Q03181 | 1/20 | 0.31 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.31 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.31 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | FYN | P06241 | 1/20 | 0.31 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.31 |
| ▸ | AHR | P35869 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL24748235 | 0.99 | CA12 (0.36) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL24747914 | 0.99 | ALDH1A1 (0.35) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL24747912 | 0.98 | CA12 (0.35) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL24747900 | 0.96 | ANO1 (0.34) | ALDH1A1MAPTANO1PLA2G2APLA2G4A | |
| SCHEMBL24749962 | 0.96 | ANO1 (0.34) | ALDH1A1MAPTANO1PLA2G2APLA2G4A | |
| SCHEMBL24748997 | 0.95 | PLA2G2A (0.35) | ALDH1A1MAPTANO1PLA2G2APLA2G4A | |
| SCHEMBL24748249 | 0.94 | CA12 (0.35) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL24749047 | 0.94 | HSD17B1 (0.34) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL24747927 | 0.94 | HSD17B1 (0.32) | ALDH1A1MAPTANO1PLA2G2APLA2G4A | |
| SCHEMBL24748236 | 0.94 | CA12 (0.37) | CA12CA1CA2CA9ALDH1A1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022259886-A1 | COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE | 出光興産株式会社 | 2022-12-15 | — | — | WO | disclosed |